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La ricerca find articoli where authors phrase all words ' Nicholas, JB' sort by level,fasc_key/DESCEND, pagina_ini_num/ASCEND ha restituito 56 riferimenti
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    1. Song, WG; Nicholas, JB; Haw, JF
      A persistent carbenium ion on the methanol-to-olefin catalyst HSAPO-34: Acetone shows the way

      JOURNAL OF PHYSICAL CHEMISTRY B
    2. Barich, DH; Nicholas, JB; Haw, JF
      Gauge-including atomic orbital proton chemical shifts of strong hydrogen bonds: The importance of electron correlation

      JOURNAL OF PHYSICAL CHEMISTRY A
    3. Wang, XB; Yang, X; Nicholas, JB; Wang, LS
      Bulk-like features in the photoemission spectra of hydrated doubly chargedanion clusters

      SCIENCE
    4. Song, WG; Nicholas, JB; Haw, JF
      Acid-base chemistry of a carbenium ion in a zeolite under equilibrium conditions: Verification of a theoretical explanation of carbenium ion stability

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    5. Zhang, JH; Nicholas, JB; Haw, JF
      NMR and theoretical study of acid sites formed by adsorption of SO3 onto oxide surfaces

      ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
    6. Feller, D; Dixon, DA; Nicholas, JB
      Binding enthalpies for alkali cation-benzene complexes revisited

      JOURNAL OF PHYSICAL CHEMISTRY A
    7. Wang, XB; Nicholas, JB; Wang, LS
      Photoelectron spectroscopy and theoretical calculations of SO4- and HSO4-:Confirmation of high electron affinities of SO4 and HSO4

      JOURNAL OF PHYSICAL CHEMISTRY A
    8. Wang, XB; Nicholas, JB; Wang, LS
      Electronic instability of isolated SO42- and its solvation stabilization

      JOURNAL OF CHEMICAL PHYSICS
    9. Wang, XB; Nicholas, JB; Wang, LS
      Intramolecular Coulomb repulsion and anisotropies of the repulsive Coulombbarrier in multiply charged anions

      JOURNAL OF CHEMICAL PHYSICS
    10. Haw, JF; Zhang, JH; Shimizu, K; Venkatraman, TN; Luigi, DP; Song, WG; Barich, DH; Nicholas, JB
      NMR and theoretical study of acidity probes on sulfated zirconia catalysts

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    11. Song, WG; Haw, JF; Nicholas, JB; Heneghan, CS
      Methylbenzenes are the organic reaction centers for methanol-to-olefin catalysis on HSAPO-34

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    12. Hay, BP; Nicholas, JB; Feller, D
      Novel binding modes in tetramethoxycalix[4]arene: Implications for ligand design

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    13. Haw, JF; Nicholas, JB; Song, WG; Deng, F; Wang, ZK; Xu, T; Heneghan, CS
      Roles for cyclopentenyl cations in the synthesis of hydrocarbons from methanol on zeolite catalyst HZSM-5

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    14. Nicholas, JB; Hay, BP
      Anisole as an ambidentate ligand: Ab initio molecular orbital study of alkali metal cations binding to anisole

      JOURNAL OF PHYSICAL CHEMISTRY A
    15. Wang, XB; Ding, CF; Nicholas, JB; Dixon, DA; Wang, LS
      Investigation of free singly and doubly charged alkali metal sulfate ion pairs: M+(SO42-) and [M+(SO42-)](2) (M = Na, K)

      JOURNAL OF PHYSICAL CHEMISTRY A
    16. Nicholas, JB; Hay, BP; Dixon, DA
      Ab initio molecular orbital study of cation-pi binding between the alkali-metal cations and benzene

      JOURNAL OF PHYSICAL CHEMISTRY A
    17. Bryan, JC; Delmau, LH; Hay, BP; Nicholas, JB; Rogers, LM; Rogers, RD; Moyer, BA
      Cesium recognition by supramolecular assemblies of 2-benzylphenol and 2-benzylphenolate

      STRUCTURAL CHEMISTRY
    18. Nicholas, JB
      A theoretical explanation of solvent effects in zeolite catalysis

      TOPICS IN CATALYSIS
    19. Catlow, CRA; Nicholas, JB; van Santen, RA
      Untitled - Preface

      TOPICS IN CATALYSIS
    20. Dupuis, M; Nicholas, JB
      On the electronic structure of Si3O2 and its anion

      MOLECULAR PHYSICS
    21. NICHOLAS JB; XU T; HAW JF
      NMR AND THEORETICAL-STUDIES OF SOLID ACIDS - SUPER AND OTHERWISE

      Topics in catalysis
    22. WANG LS; DING CF; WANG XB; NICHOLAS JB; NICHOLAS B
      PROBING THE POTENTIAL BARRIERS AND INTRAMOLECULAR ELECTROSTATIC INTERACTIONS IN FREE DOUBLY-CHARGED ANIONS

      Physical review letters
    23. NICHOLAS JB; HAW JF
      THE PREDICTION OF PERSISTENT CARBENIUM IONS IN ZEOLITES

      Journal of the American Chemical Society
    24. NICHOLAS JB; KHEIR AA; XU T; KRAWIETZ TR; HAW JF
      THEORETICAL AND SOLID-STATE NMR-STUDY OF ACETYLENE ADSORPTION ON NANO-SIZED MGO

      Journal of the American Chemical Society
    25. XU T; BARICH DH; GOGUEN PW; SONG WG; WANG ZK; NICHOLAS JB; HAW JF
      SYNTHESIS OF A BENZENIUM ION IN A ZEOLITE WITH USE OF A CATALYTIC FLOW REACTOR

      Journal of the American Chemical Society
    26. GOGUEN PW; XU T; BARICH DH; SKLOSS TW; SONG WG; WANG ZK; NICHOLAS JB; HAW JF
      PULSE-QUENCH CATALYTIC REACTOR STUDIES REVEAL A CARBON-POOL MECHANISMIN METHANOL-TO-GASOLINE CHEMISTRY ON ZEOLITE HZSM-5

      Journal of the American Chemical Society
    27. Barich, DH; Nicholas, JB; Xu, T; Haw, JF
      Theoretical and experimental study of the C-13 chemical shift tensors of acetone complexed with Bronsted and Lewis acids

      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
    28. WHITE JC; NICHOLAS JB; HESS AC
      PERIODIC HARTREE-FOCK CHARACTERIZATION OF THE STRUCTURE AND ELECTRONIC-PROPERTIES OF ZEOLITE NACAA

      JOURNAL OF PHYSICAL CHEMISTRY B
    29. LEE TY; RAGHAVENDRA CS; NICHOLAS JB
      LOAD BALANCING STRATEGIES FOR RAY-TRACING ON PARALLEL PROCESSORS

      Integrated computer-aided engineering
    30. NICHOLAS JB
      DENSITY-FUNCTIONAL THEORY STUDIES OF ZEOLITE STRUCTURE, ACIDITY, AND REACTIVITY

      Topics in catalysis
    31. WANG LS; NICHOLAS JB; DUPUIS M; WU HB; COLSON SD
      SI3OY (Y=1-6) CLUSTERS - MODELS FOR OXIDATION OF SILICON SURFACES ANDDEFECT SITES IN BULK OXIDE MATERIALS

      Physical review letters
    32. HAW JF; XU T; NICHOLAS JB; GOGUEN PW
      SOLVENT-ASSISTED PROTON-TRANSFER IN CATALYSIS BY ZEOLITE SOLID ACIDS

      Nature
    33. LONG XP; NICHOLAS JB; GUEST MF; ORNSTEIN RL
      A COMBINED DENSITY-FUNCTIONAL THEORY MOLECULAR MECHANICS FORMALISM AND ITS APPLICATION TO SMALL WATER CLUSTERS

      Journal of molecular structure
    34. XU T; KOB N; DRAGO RS; NICHOLAS JB; HAW JF
      A SOLID ACID CATALYST AT THE THRESHOLD OF SUPERACID STRENGTH - NMR, CALORIMETRY, AND DENSITY-FUNCTIONAL THEORY STUDIES OF SILICA-SUPPORTED ALUMINUM-CHLORIDE

      Journal of the American Chemical Society
    35. XU T; BARICH DH; TORRES PD; NICHOLAS JB; HAW JF
      C-13 CHEMICAL-SHIFT TENSORS FOR ACYLIUM IONS - A COMBINED SOLID-STATENMR AND AB-INITIO MOLECULAR-ORBITAL STUDY

      Journal of the American Chemical Society
    36. LEE TY; RAGHAVENDRA CS; NICHOLAS JB
      IMAGE COMPOSITION SCHEMES FOR SORT-LAST POLYGON RENDERING ON 2D MESH MULTICOMPUTERS

      IEEE transactions on visualization and computer graphics
    37. GUEST MF; APRA E; BERNHOLDT DE; FRUCHTL HA; HARRISON RJ; KENDALL RA; KUTTEH RA; LONG X; NICHOLAS JB; NICHOLS JA; TAYLOR HL; WONG AT; FANN GI; LITTLEFIELD RJ; NIEPLOCHA J
      HIGH-PERFORMANCE COMPUTING IN CHEMISTRY - NW CHEM

      Future generations computer systems
    38. MCCARTHY MI; SCHENTER GK; SCAMEHORN CA; NICHOLAS JB
      STRUCTURE AND DYNAMICS OF THE WATER MGO INTERFACE/

      Journal of physical chemistry
    39. MARSHALL CL; NICHOLAS JB; BRAND H; CARRADO KA; WINANS RE
      AB-INITIO MOLECULAR-ORBITAL STUDY OF THE ACIDITY OF HYDRATED LITHIUM HYDROXIDE

      Journal of physical chemistry
    40. ZHAO QS; NICHOLAS JB
      TRANSITION-STATE OPTIMIZATION USING THE DIVIDE-AND-CONQUER METHOD - REACTION OF TRANS-2-BUTENE WITH HF

      The Journal of chemical physics
    41. NADA R; NICHOLAS JB; MCCARTHY MI; HESS AC
      BASIS-SETS FOR AB-INITIO PERIODIC HARTREE-FOCK STUDIES OF ZEOLITE ADSORBATE INTERACTIONS - HE, NE, AND AR IN SILICA SODALITE/

      International journal of quantum chemistry
    42. NICHOLAS JB; XU T; BARICH DH; TORRES PD; HAW JF
      C-13 CHEMICAL-SHIFT TENSOR OF THE ISOPROPYL CATION

      Journal of the American Chemical Society
    43. HAW JF; NICHOLAS JB; XU T; BECK LW; FERGUSON DB
      PHYSICAL ORGANIC-CHEMISTRY OF SOLID ACIDS - LESSONS FROM IN-SITU NMR AND THEORETICAL CHEMISTRY

      Accounts of chemical research
    44. STAVE MS; NICHOLAS JB
      DENSITY-FUNCTIONAL STUDIES OF ZEOLITES .2. STRUCTURE AND ACIDITY OF [T]-ZSM-5 MODELS (T=B, AL, GA, AND FE)

      Journal of physical chemistry
    45. NICHOLAS JB; FEYEREISEN M
      AN EVALUATION OF CORRELATION-CONSISTENT BASIS-SETS IN CALCULATING THESTRUCTURE AND ENERGETICS OF (H2SI)(2)O, H3SIOH, AND H3SIO-

      The Journal of chemical physics
    46. NICHOLAS JB; FAN JW; WU HB; COLSON SD; WANG LS
      A COMBINED DENSITY-FUNCTIONAL THEORETICAL AND PHOTOELECTRON SPECTROSCOPIC STUDY OF GE2O2

      The Journal of chemical physics
    47. BERNHOLDT DE; APRA E; FRUCHTL HA; GUEST MF; HARRISON RJ; KENDALL RA; KUTTEH RA; LONG X; NICHOLAS JB; NICHOLS JA; TAYLOR HL; WONG AT
      PARALLEL COMPUTATIONAL CHEMISTRY MADE EASIER - THE DEVELOPMENT OF NWCHEM

      International journal of quantum chemistry
    48. KUTTEH R; NICHOLAS JB
      EFFICIENT DIPOLE ITERATION IN POLARIZABLE CHARGED SYSTEMS USING THE CELL MULTIPOLE METHOD AND APPLICATION TO POLARIZABLE WATER

      Computer physics communications
    49. KUTTEH R; NICHOLAS JB
      IMPLEMENTING THE CELL MULTIPOLE METHOD FOR DIPOLAR AND CHARGED DIPOLAR SYSTEMS

      Computer physics communications
    50. NICHOLAS JB; HAW JF; BECK LW; KRAWIETZ TR; FERGUSON DB
      DENSITY-FUNCTIONAL THEORETICAL AND NMR-STUDY OF HAMMETT BASES IN ACIDIC ZEOLITES

      Journal of the American Chemical Society
    51. BECK LW; XU T; NICHOLAS JB; HAW JF
      KINETIC NMR AND DENSITY-FUNCTIONAL STUDY OF BENZENE H D EXCHANGE IN ZEOLITES, THE MOST SIMPLE AROMATIC-SUBSTITUTION/

      Journal of the American Chemical Society
    52. FAN JW; NICHOLAS JB; PRICE JM; COLSON SD; WANG LS
      SI3O4- - VIBRATIONALLY RESOLVED PHOTOELECTRON-SPECTRUM AND AB-INITIO CALCULATIONS

      Journal of the American Chemical Society
    53. KELDSEN GL; NICHOLAS JB; CARRADO KA; WINANS RE
      MOLECULAR MODELING OF THE ENTHALPIES OF ADSORPTION OF HYDROCARBONS ONSMECTITE CLAY

      Journal of physical chemistry
    54. NICHOLAS JB; HESS AC
      AB-INITIO PERIODIC HARTREE-FOCK INVESTIGATION OF A ZEOLITE ACID SITE

      Journal of the American Chemical Society
    55. STAVE MS; NICHOLAS JB
      DENSITY-FUNCTIONAL STUDY OF CLUSTER-MODELS OF ZEOLITES .1. STRUCTURE AND ACIDITY OF HYDROXYL-GROUPS IN DISILOXANE ANALOGS

      Journal of physical chemistry
    56. NICHOLAS JB; TROUW FR; MERTZ JE; ITON LE; HOPFINGER AJ
      MOLECULAR-DYNAMICS SIMULATION OF PROPANE AND METHANE IN SILICALITE

      Journal of physical chemistry


ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 27/10/20 alle ore 13:19:49